3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-4-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-1-(phenylmethyl)pyrrole-2,5-dione

Systemtic Name: 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-4-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-1-(phenylmethyl)pyrrole-2,5-dione Openeye Name: 3-(4-benzhydrylpiperazin-4-ium-1-yl)-1-benzyl-4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-pyrrole-2,5-dione CAS Name: 3-[(4,6-dimethyl-2-pyrimidinyl)thio]-4-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-1-(phenylmethyl)pyrrole-2,5-dione IUPAC Name: 3-(4-benzhydrylpiperazin-4-ium-1-yl)-1-benzyl-4-(4,6-dimethylpyrimidin-2-yl)sulfanylpyrrole-2,5-dione Traditional Name: 3-(4-benzhydrylpiperazin-4-ium-1-yl)-1-benzyl-4-[(4,6-dimethylpyrimidin-2-yl)thio]-3-pyrroline-2,5-quinone Formula: C34H34N5O2S+ MolecularWeight: 576.73106

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC2=C(C(=O)N(C2=O)CC3=CC=CC=C3)N4CC[NH+](CC4)C(C5=CC=CC=C5)C6=CC=CC=C6)C

Isomeric SMILES

CC1=CC(=NC(=N1)SC2=C(C(=O)N(C2=O)CC3=CC=CC=C3)N4CC[NH+](CC4)C(C5=CC=CC=C5)C6=CC=CC=C6)C

InChI

InChI=1S/C34H33N5O2S/c1-24-22-25(2)36-34(35-24)42-31-30(32(40)39(33(31)41)23-26-12-6-3-7-13-26)38-20-18-37(19-21-38)29(27-14-8-4-9-15-27)28-16-10-5-11-17-28/h3-17,22,29H,18-21,23H2,1-2H3/p+1